3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine

C17H18N4 — CID 43547339

IUPAC3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C17H18N4/c1-12-16(13(2)21-20-12)19-17(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,17,19H,1-2H3,(H,20,21)
InChIKeyFUWIWLWIECJBNO-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.62
Rot. Bonds4

About 3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine

3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine (PubChem CID 43547339) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine
PubChem CID43547339
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C17H18N4/c1-12-16(13(2)21-20-12)19-17(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,17,19H,1-2H3,(H,20,21)
InChIKeyFUWIWLWIECJBNO-UHFFFAOYSA-N
XLogP3.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 93431002
4-methyl-N-[phenyl(pyridin-2-yl)methyl]pyridin-3-amine
CID 63329354
4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline
CID 43825795
N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine
CID 79090024
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 124888794
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine
CID 63842105
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110362945
6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 43008369
N-[1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547315
4-acetyl-3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 36947323

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine (CID 43547339) is 3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine?
The InChIKey is FUWIWLWIECJBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-16(13(2)21-20-12)19-17(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,17,19H,1-2H3,(H,20,21).
What are the key properties of 3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine?
3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43547339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).